1,2-二噻戊环-3-丙酸 | 13125-44-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1,2-二噻戊环-3-丙酸
• 英文名称: Bisnorlipoic acid
• 英文别名: 3-(1,2-dithiolan-3-yl)propanoic acid；RS-1,2-dithiolane-3-propanoic acid；RS-bisnorlipoic acid；3-[1,2]dithiolan-3-yl-propionic acid；3-(1,2-dithiolan-3-yl)propionic acid；1,2-Dithiolan-3-propionsaeure；1,2-Dithiolane-3-propanoic acid；3-(dithiolan-3-yl)propanoic acid
• CAS: 13125-44-5
• 化学式: C₆H₁₀O₂S₂
• 分子量: 178.276
• InChiKey: RGQLDLUVIDCIBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-二噻戊环-3-丙酸 、 6-氨基-4-(3-氯-4氟苯氨基)-7-乙氧基喹啉-3-腈 在 N¹-((ethylimino)methylene)-N³,N³-dimethylpropane-1,3-diamine hydrochloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 以30%的产率得到N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1,2-dithiolan-3-yl)propanamide
  参考文献：
  名称：

  1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS

  摘要：

  该发明的组合物包括1,2-二硫杂环烷、二硫醇和相关化合物，可用作治疗剂，用于治疗和预防与EGFR活性异常相关的疾病和病况。

  公开号：

  US20180208584A1
• 作为产物：
  描述：

  4,6-bis(benzylthio)hexanoic acid 在 氨 、 sodium 作用下， 以 甲苯 为溶剂， 以56%的产率得到1,2-二噻戊环-3-丙酸
  参考文献：
  名称：

  1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS

  摘要：

  该发明的组合物包括1,2-二硫杂环烷、二硫醇和相关化合物，可用作治疗剂，用于治疗和预防与EGFR活性异常相关的疾病和病况。

  公开号：

  US20180208584A1

文献信息

• Dithiolan derivatives, their preparation and their therapeutic effect
  申请人：Sankyo Company, Limited

  公开号：US06013663A1

  公开（公告）日：2000-01-11

  A compound of formula (I): ##STR1## wherein one of m and n represents 0, and the other represents 0, 1 or 2; k represents 0 or 1 to 12; R.sup.1 is hydrogen, an aryl, a heterocyclic, an alkyl, a hydroxy or --OR.sup.7, wherein R.sup.7 is an alkyl, an alkenyl or an aralkyl; A is --CON(R.sup.2)SO.sub.2--, wherein R.sup.2 is hydrogen, an alkyl or an aralkyl; B is a single bond; and pharmaceutically acceptable salts thereof. The compounds have the ability to enhance the activity of glutathione reductase and can therefore be used for the treatment and prevention of a variety of diseases including cataracts.

  式（I）的化合物：其中m和n中的一个表示0，另一个表示0、1或2；k表示0或1至12；R.sup.1是氢、芳基、杂环、烷基、羟基或--OR.sup.7，其中R.sup.7是烷基、烯基或芳基烷基；A是--CON(R.sup.2)SO.sub.2--，其中R.sup.2是氢、烷基或芳基烷基；B是单键；以及其药学上可接受的盐。这些化合物具有增强谷胱甘肽还原酶活性的能力，因此可用于治疗和预防包括白内障在内的各种疾病。
• Dithiolin derivatives, their preparation and their therapeutic effect
  申请人：Sankyo Company, Limited

  公开号：US06313164B1

  公开（公告）日：2001-11-06

  Compounds of the formula (I): wherein one of m and n is 0, and the other is 0, 1 or 2; k is 0 or 1 to 12; R1 is hydrogen, a substituent which is an aryl or a heterocyclic, or an optionally substituted alkyl group; A is a single bond, an oxygen atom, a carbonyl group or a group of the formula —N(R2)CO—, —N(R2)CS—, —N(R2)SO2—, —CON(R2)N(R3)CO—, —CON(R2)CO—, —CON(R2)CS—, —CON(R2)SO2—, —O—CO—, —ON(R2)CO—, —ON(R2)SO2—, —O—CON(R2)N(R3)CO—, —O—CON(R2)CO—, —O—CON(R2)SO2—, —CO—O—, —CO—CO—, —CO—CON(R2)N(R3)CO—, —CO—CON(R2)CO—, —CO—CON(R2)SO2—, —N(R2)O—, —N(R2)COCO—, —N(R2)N(R3)CO—, —N(R2)N(R3)SO2—, —N(R2)CON(R3)N(R4)CO—, —N(R2)CON(R3)CO—, —N(R2)CON(R3)SO2— or —N(R2)CON(R3)SO2N(R4)CO—, wherein R2, R3 and R4 are the same or different and each is hydrogen, alkyl, aralkyl, acyl or a substituent &agr;; B is a single bond, or a group of the formula —N(R5)— or —N(R6)N(R5)— wherein R5 and R6 are the same or different and each is hydrogen, alkyl, aralkyl, acyl or a substituent &agr;, or R5, together with R1 and the nitrogen atom to which they are bonded form a heterocyclic ring having from 5 to 7 ring atoms; or R1 represents a group of formula —OR7, wherein R7 is alkyl, alkenyl, aralkyl or a substituent &agr;; or R1 represents a hydroxy group or a group of the formula —OR7; or pharmaceutically acceptable salts thereof. The compounds enhance the activity of glutathione reductase and can be used for the treatment and prevention of a variety of diseases including cataracts.

  式（I）的化合物：其中m和n中的一个为0，另一个为0、1或2；k为0或1至12；R1为氢、取代基，其为芳基或杂环基，或者为可选取代的烷基基团；A为单键、氧原子、羰基基团或者为式—N（R2）CO—、—N（R2）CS—、—N（R2）SO2—、—CON（R2）N（R3）CO—、—CON（R2）CO—、—CON（R2）CS—、—CON（R2）SO2—、—O—CO—、—ON（R2）CO—、—ON（R2）SO2—、—O—CON（R2）N（R3）CO—、—O—CON（R2）CO—、—O—CON（R2）SO2—、—CO—O—、—CO—CO—、—CO—CON（R2）N（R3）CO—、—CO—CON（R2）CO—、—CO—CON（R2）SO2—、—N（R2）O—、—N（R2）COCO—、—N（R2）N（R3）CO—、—N（R2）N（R3）SO2—、—N（R2）CON（R3）N（R4）CO—、—N（R2）CON（R3）CO—、—N（R2）CON（R3）SO2—或—N（R2）CON（R3）SO2N（R4）CO—的基团，其中R2、R3和R4相同或不同，且每个都为氢、烷基、芳基烷基、酰基或取代基&agr;；B为单键，或者为式—N（R5）—或—N（R6）N（R5）—的基团，其中R5和R6相同或不同，且每个都为氢、烷基、芳基烷基、酰基或取代基&agr;，或者R5与R1及它们结合的氮原子形成具有5至7个环原子的杂环环；或R1表示式—OR7的基团，其中R7为烷基、烯基、芳基烷基或取代基&agr;; 或R1表示羟基或式—OR7的基团；或其药学上可接受的盐。这些化合物增强谷胱甘肽还原酶的活性，可用于治疗和预防包括白内障在内的各种疾病。
• 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions
  申请人：Sabila Biosciences LLC

  公开号：US10246444B2

  公开（公告）日：2019-04-02

  Compositions of the invention comprise 1,2-dithiolane, dithiol and related compounds useful as therapeutic agents for the treatment and prevention of diseases and conditions associated with aberrant EGFR activity.

  本发明的组合物包括 1,2-二硫环戊烷、二硫醇及相关化合物，可作为治疗剂用于治疗和预防与表皮生长因子受体活性异常相关的疾病和病症。
• Use of lipoic acid in plant culture media
  申请人：——

  公开号：US20040133938A1

  公开（公告）日：2004-07-08

  Plant transformation media containing lipoic acid has been found to improve the efficiency of transformation or regeneration. Methods of using lipoic acid in the transformation of tomato, potato, soybean, wheat, and cotton are particularly described.
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR
  申请人：Shahid Muslim D.

  公开号：US20150238463A1

  公开（公告）日：2015-08-27

  The present disclosure describes a treatment for acid related gastrointestinal disorders. The compounds described herein are known gastric acid secretion inhibitors in combination with alpha lipoic acid (ALA) or related compounds. ALA is not known as a treatment for acid related gastrointestinal disorders, however, ALA, when combined as described in the present disclosure with certain compounds used in the treatment of acid related gastrointestinal disorders, significantly improves existing treatments.